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Change log

V2.0.0

  • every object now has as_dict/from_dict methods to help save work as e.g. json files.
    • this introduces a breaking change! The functionality previously accessible via DefectSystem.as_dict() in versions < 2.0.0 is now accessible via DefectSystem.concentration_dict()
    • this has also resulted in some changes to the CLI input file format. See the docs for new formatting requirements.

V1.1.0

  • new warning handling for overflow errors

V1.0.0 full as-reviewed release